| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RU200 |
Temperature [K] _diffrn.ambient_temp | 296 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1994-08-10 |
Detector _diffrn_detector.type | UCSD MARK II |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.542 |
| Software | |
Data reduction _software.classification | UCSD-system |
Data scaling _software.classification | UCSD-system |
Phasing _software.classification | SQUASH |
Refinement _software.classification | REFMAC (5.2.0019) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 51.64 51.64 143.33 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54200 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 8.300 | 3.230 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.000 | 3.000 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.080 | 0.159 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 12719 | 1000 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 3.50 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 78.6 | 70.0 |
Multiplicity _reflns.pdbx_redundancy | 1.3 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6WRO |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2020-04-29 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.3 - 3.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1928 / 0.2359 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | 1INP |